Multicomponent diffusion, approximate calculations

Fast and satisfactory mass transfer calculations are necessary since we may have to repeat such calculations many times for a rate-based distillation column model or two-phase flow with mass transfer between the phases in the design and simulation process. The generalized matrix method may be used for multicomponent mass transfer calculations. The generalized matrix method utilizes the Maxwell-Stefan model with the linearized film model for diffusion flux, assuming a constant diffusion coefficient matrix and total concentration in the diffusion region. In an isotropic medium, Fick s law may describe the multicomponent molecular mass transfer at a specified temperature and pressure, assuming independent diffusion of the species in a fluid mixture. Such independent diffusion, however, is only an approximation in the following cases (i) diffusion of a dilute component in a solvent, (ii) diffusion of various components with identical diffusion properties, and (iii) diffusion in a binary mixture. 

Comparison between Rigorous and Approximate Calculations Based on Ordinary Molecular Diffusion in Nonreactive Multicomponent Gas Mixtures... 

In the literature the net momentum flux transferred from molecules of type s to molecules of type r has either been expressed in terms of the average diffusion velocity for the different species in the mixture [109] or the average species velocity is used [148]. Both approaches lead to the same relation for the diffusion force and thus the Maxwell-Stefan multicomponent diffusion equations. In this book we derive an approximate formula for the diffusion force in terms of the average velocities of the species in the mixture. The diffusive fluxes are introduced at a later stage by use of the combined flux definitions. Nevertheless, the given momentum flux formula (2.537) is not useful before the unknown average velocity after the collisions v has been determined. For elastic molecular collisions this velocity can be calculated, in... 

The Chapman-Enskog theory was developed for dilute, monatomic gases for pure substances and for binary mixtures. The extension to multicomponent gas mixtures was performed by Curtiss and Hirschfelder (C12, Hll), who in addition have shown that the Chapman-Enskog results may also be obtained by means of an alternate variational method. Recently Kihara (K3) has shown how expressions for the higher approximations to the transport coefficients may be obtained, which are considerably simpler than those previously proposed by Chapman and Cowling these simpler formulas are particularly advantageous for calculating the coefficients of diffusion and thermal diffusion (M3, M4). 

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